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Home Halogens 2-Amino-3-bromo-5-nitrobenzonitrile

2-Amino-3-bromo-5-nitrobenzonitrile

CAS No.:
17601-94-4
Catalog Number:
AG0021DS
Molecular Formula:
C7H4BrN3O2
Molecular Weight:
242.0296
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$19
- +
25g
98%
In Stock USA
United States
$50
- +
100g
98%
In Stock USA
United States
$138
- +
500g
98%
In Stock USA
United States
$550
- +
Product Description
Catalog Number:
AG0021DS
Chemical Name:
2-Amino-3-bromo-5-nitrobenzonitrile
CAS Number:
17601-94-4
Molecular Formula:
C7H4BrN3O2
Molecular Weight:
242.0296
MDL Number:
MFCD00054185
IUPAC Name:
2-amino-3-bromo-5-nitrobenzonitrile
InChI:
InChI=1S/C7H4BrN3O2/c8-6-2-5(11(12)13)1-4(3-9)7(6)10/h1-2H,10H2
InChI Key:
MUHLVSZIVTURCZ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cc(c1N)Br)[N+](=O)[O-]
EC Number:
241-574-4
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.949g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.032g/mol
Monoisotopic Mass:
240.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Hydrogen bonding in C-substituted nitroanilines: sheets built from alternating R(2)(2)(12) and R(6)(6)(36) rings in 2-bromo-6-cyano-4-nitroaniline. Acta crystallographica. Section C, Crystal structure communications 20020201
Properties